BioLiP

PDB

BioLiP

PDB CCD ID:

4QT

Number of entries in BioLiP:

Chemical formula:

C6 H4 Br3 N O4

InChI:

InChI=1S/C6H4Br3NO4/c7-1-4(10)2(8)6(14-12)3(9)5(1)13-11/h11-12H,10H2

InChIKey:

LZZXDGTUENOCKF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1c(Br)c(OO)c(Br)c(OO)c1Br
ACDLabs 12.01 OpenEye OEToolkits 1.9.2	c1(c(c(c(c(c1Br)OO)Br)OO)Br)N

Name:

5-amino-2,4,6-tribromobenzene-1,3-diyl dihydroperoxide

ZINC:

ZINC000584904940

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).